2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol

C16H18N2O3 — CID 105092346

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O3/c1-3-13-12(8-10(2)17-18-13)16(19)11-4-5-14-15(9-11)21-7-6-20-14/h4-5,8-9,16,19H,3,6-7H2,1-2H3
InChIKeyDFTRGXDMSULLKZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.20
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol (PubChem CID 105092346) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
PubChem CID105092346
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H18N2O3/c1-3-13-12(8-10(2)17-18-13)16(19)11-4-5-14-15(9-11)21-7-6-20-14/h4-5,8-9,16,19H,3,6-7H2,1-2H3
InChIKeyDFTRGXDMSULLKZ-UHFFFAOYSA-N
XLogP2.20
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(3-ethyl-6-methylpyridazin-4-yl)-pyridin-3-ylmethanol
CID 105079484
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 104542185
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 61086868
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
CID 79808329
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methanol
CID 105094321
2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
CID 105114654
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-fluoro-2-methylphenyl)methanol
CID 63894946
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769409
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 105141062

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol (CID 105092346) is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol is CCc1nnc(C)cc1C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The InChIKey is DFTRGXDMSULLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-13-12(8-10(2)17-18-13)16(19)11-4-5-14-15(9-11)21-7-6-20-14/h4-5,8-9,16,19H,3,6-7H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol has a molecular weight of 286.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 105092346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).